CID 50419

69353-18-0

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
C1=CC=C(C=C1)CCNNC(=O)OCCCl
InChI
InChI=1S/C11H15ClN2O2/c12-7-9-16-11(15)14-13-8-6-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKey
QWNOOFAKMVTLJK-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(2-phenylethylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 153.2
[M+Na]+ 265.07142 158.9
[M-H]- 241.07492 156.1
[M+NH4]+ 260.11602 170.8
[M+K]+ 281.04536 155.2
[M+H-H2O]+ 225.07946 147.0
[M+HCOO]- 287.08040 174.3
[M+CH3COO]- 301.09605 193.6
[M+Na-2H]- 263.05687 159.2
[M]+ 242.08165 155.8
[M]- 242.08275 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.